1-(2-Octyldecyl)octahydropentalene
Basic information
- CAS
55401-65-5- Standard SMILES
CCCCCCCCC(CCCCCCCC)CC1CCC2CCCC21- InChIKey
DYDQOTYPEFVQNC-UHFFFAOYSA-N- Molecular formula
- C26H50
- Average molar mass
- 362.7 g/mol
- Monoisotopic mass
- 362.3912516
Names & identifiers
- Preferred name
- 1-(2-Octyldecyl)octahydropentalene
- IUPAC
- 1-(2-octyldecyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
- English name
- Octahydro-1-(2-octyldecyl)pentalene
- Molecular formula
- C26H50
- Molecular weight
- 362.68
Names & synonyms
1-(2-Octyldecyl)octahydropentalene55401-65-5DTXSID40305208RefChem:223826DTXCID50256338Octahydro-1-(2-octyldecyl)pentaleneNSC169758NSC-169758DB-321322Pentalene, octahydro-1-(2-octyldecyl)-
Database identifiers
- CAS
55401-65-5- PubChem CID
- 298063
- DTXSID
DTXSID40305208- Nikkaji
- J104.859G
Properties
Computed structural properties
- XLogP
- 12.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 16
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 304
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Related reactions
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Compound notes
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